Crystallography Open Database

Information card for entry 7213609

Preview

Coordinates	7213609.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H32 Cd N4 O5
Calculated formula	C47 H32 Cd N4 O5
Title of publication	Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine
Authors of publication	Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	4
Pages of publication	698
a	11.9824 ± 0.0013 Å
b	32.547 ± 0.004 Å
c	10.7535 ± 0.0012 Å
α	90°
β	98.598 ± 0.002°
γ	90°
Cell volume	4146.6 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0736
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1736
Weighted residual factors for all reflections included in the refinement	0.1797
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7213609.cif
105137	2014-03-11	cif/ Adding structures of 7213607, 7213608, 7213609, 7213610, 7213611, 7213612 via cif-deposit CGI script.	7213609.cif